smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340745	518728734	/nfs/dbraw/zinc/72/87/34/518728734.db2.gz	WKOULXSYSNQNEL-NRFANRHFSA-N	2	2	429.008	4.041	50	30		IIEALP
C[NH+](C)CCNc1nc(NCc2ccccc2)c(C#N)c2c1C[N@H+](Cc1ccccc1)CC2	ZINC000095478393	569373491	/nfs/dbraw/zinc/37/34/91/569373491.db2.gz	LNWPLDDSKRDQLD-UHFFFAOYSA-N	2	2	440.595	4.097	50	30		IIEALP
C[NH+](C)CCNc1nc(NCc2ccccc2)c(C#N)c2c1C[N@@H+](Cc1ccccc1)CC2	ZINC000095478393	569373493	/nfs/dbraw/zinc/37/34/93/569373493.db2.gz	LNWPLDDSKRDQLD-UHFFFAOYSA-N	2	2	440.595	4.097	50	30		IIEALP
CO/[NH+]=C/c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000020219038	569356844	/nfs/dbraw/zinc/35/68/44/569356844.db2.gz	SIVYXHRPJCLESR-LGUFXXKBSA-N	2	2	430.508	4.487	50	30		IIEALP
Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1C	ZINC000008727513	132292285	/nfs/dbraw/zinc/29/22/85/132292285.db2.gz	AVYIGPLBJXCRMF-UHFFFAOYSA-N	2	2	446.624	4.098	50	30		IIEALP
C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340744	518721064	/nfs/dbraw/zinc/72/10/64/518721064.db2.gz	WKOULXSYSNQNEL-OAQYLSRUSA-N	2	2	429.008	4.041	50	30		IIEALP
C=CCOc1ccccc1C[N@@H+](Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1	ZINC000020109618	568855684	/nfs/dbraw/zinc/85/56/84/568855684.db2.gz	YAPWFXHALJGUEU-UHFFFAOYSA-N	3	2	448.655	4.455	50	30		IIEALP
C=CCOc1ccccc1C[N@H+](Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1	ZINC000020109618	568855685	/nfs/dbraw/zinc/85/56/85/568855685.db2.gz	YAPWFXHALJGUEU-UHFFFAOYSA-N	3	2	448.655	4.455	50	30		IIEALP